SCHEMBL3014872

SCHEMBL3014872

CCOCCOCCOc1ccc(C(N)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 11/20 0.69
THRA P10827 1/20 0.58
RARB P10826 1/20 0.54
PARP2 Q9UGN5 3/20 0.50
PARP4 Q9UKK3 2/20 0.50
MAPT P10636 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
PARP1 P09874 1/20 0.50
MMP14 P50281 1/20 0.49
PARP15 Q460N3 3/20 0.49
PRSS1 P07477 2/20 0.49
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
PARP14 Q460N5 1/20 0.48
PARP16 Q8N5Y8 1/20 0.48
PARP11 Q9NR21 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3017507 0.98 PARP10 (0.71) PARP10THRARARBPARP2PARP4
SCHEMBL31146810 0.87 PARP10 (0.65) PARP10RARBPARP2PARP4MAPT
SCHEMBL3021118 0.87 PARP10 (0.65) PARP10RARBPARP2PARP4MAPT
SCHEMBL17919521 0.85 PARP10 (0.67) PARP10RARBPARP2PARP4PARP15
SCHEMBL19389670 0.85 PARP10 (0.67) PARP10RARBPARP2PARP4PARP15
SCHEMBL30969234 0.84 PARP10 (0.61) PARP10THRAPARP2PARP4CA1
SCHEMBL61981 0.83 RARB (0.69) THRARARBALDH1A1L3MBTL1
SCHEMBL13350009 0.83 PARP10 (0.59) PARP10RARBPARP2PARP4MAPT
SCHEMBL606438 0.82 PARP10 (0.72) PARP10PARP2PARP4CA1CA2
SCHEMBL1086686 0.82 PARP10 (0.72) PARP10RARBMAPTL3MBTL1SAE1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS R & D LIMITED (GB) 2010-08-12 US disclosed
EP-1910374-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS Vernalis (R&D) Limited (GB) 2008-04-16 EP disclosed
WO-2007007069-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS VERNALIS (R & D) LIMITED (GB) 2007-01-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100204224-A1 AZACYCLIC COMPOUNDS AS INHIBITORS OF SENSORY NEURONE SPECIFIC SODIUM CHANNELS SCN1B, SCN2B, SCN1A PARP10 3946/4885THRA 886/4885RARB 297/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.